![2-[Chloro(4-fluorophenyl)methylene]valeraldehyde structure](/static/products/837/83706-47-2.png)
2-[Chloro(4-fluorophenyl)methylene]valeraldehyde
TL;DR: 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde (CAS 83706-47-2) is a chemical compound with molecular formula C12H12ClFO and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[chloro-(4-fluorophenyl)methylidene]pentanal
Also Known As: EINECS 280-523-0, 2-[chloro-(4-fluorophenyl)methylidene]pentanal, 2-[Chloro(4-fluorophenyl)methylene]pentanal, Pentanal,2-[chloro(4-fluorophenyl)methylene]-, 2-(Chloro(4-fluorophenyl)methylene)valeraldehyde
| Molecular Formula | C12H12ClFO |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 3.7746 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.05608 |
| Heavy Atoms | 15 |
| Complexity | 367.71344 |
Chemical Identifiers
| CAS Number | 83706-47-2 |
|---|---|
| SMILES | CCCC(=C(C1=CC=C(C=C1)F)Cl)C=O |
Product Overview
2-[Chloro(4-fluorophenyl)methylene]valeraldehyde (CAS 83706-47-2), with molecular formula C12H12ClFO and molecular weight 226.06 g/mol. IUPAC: 2-[chloro-(4-fluorophenyl)methylidene]pentanal.
Chemical Property Profile of 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde
Property Insights of 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde
The XLogP value of 3.7746 indicates that 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde?
The CAS number of 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde is 83706-47-2.
What is the molecular formula of 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde?
The molecular formula of 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde is C12H12ClFO.
What is the molecular weight of 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde?
The molecular weight of 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde is 226.06 g/mol.
Where can I buy 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde?
You can request a quote for 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-[Chloro(4-fluorophenyl)methylene]valeraldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.